8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C17H19F3N2O4 — CID 163316839

IUPAC8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc2c1NC(=O)CC2C(=O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C17H19F3N2O4/c1-25-13-4-2-3-11-12(9-14(23)21-15(11)13)16(24)22-7-5-10(6-8-22)26-17(18,19)20/h2-4,10,12H,5-9H2,1H3,(H,21,23)
InChIKeyRZYZIMKJKSQNMZ-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.65
Rot. Bonds3

About 8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 163316839) has the molecular formula C17H19F3N2O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is 8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID163316839
Molecular FormulaC17H19F3N2O4
Molecular Weight372.34 g/mol
Exact Mass372.13
IUPAC Name8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc2c1NC(=O)CC2C(=O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C17H19F3N2O4/c1-25-13-4-2-3-11-12(9-14(23)21-15(11)13)16(24)22-7-5-10(6-8-22)26-17(18,19)20/h2-4,10,12H,5-9H2,1H3,(H,21,23)
InChIKeyRZYZIMKJKSQNMZ-UHFFFAOYSA-N
XLogP2.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
CID 154888859
8-methoxy-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 84620678
(4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 126450360
7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 119664135
(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 41310381
7-fluoro-4-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111434115
(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95578987
(4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582824
(4S)-4-[(3S)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582825
4-(3-ethoxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 56819858
6-methoxy-4-oxo-3,3a,5,9b-tetrahydro-1H-pyrrolo[3,4-c]quinoline-2-carboxylic acid
CID 69054465

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 163316839) is 8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is COc1cccc2c1NC(=O)CC2C(=O)N1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RZYZIMKJKSQNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O4/c1-25-13-4-2-3-11-12(9-14(23)21-15(11)13)16(24)22-7-5-10(6-8-22)26-17(18,19)20/h2-4,10,12H,5-9H2,1H3,(H,21,23).
What are the key properties of 8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 372.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 163316839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).